5IL8
Tobacco 5-epi-aristolochene synthase with MOPSO buffer molecule and Ca2+ ions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 126.940, 126.940, 123.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.190 - 2.300 |
| R-factor | 0.187 |
| Rwork | 0.187 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5im1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.968 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.190 | 2.382 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.102 | 0.632 |
| Number of reflections | 45472 | |
| <I/σ(I)> | 8.03 | 1.87 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 8.8 | 8.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 278 | 100 mM MOPSO, pH 7, 100 mM Ca Acetate, 10% PEG 8000 |
